SCHEMBL407587

SCHEMBL407587

O=C(OS(=O)(=O)C(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.37
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 2/20 0.31
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31
LMNA P02545 1/20 0.31
GRIK1 P39086 1/20 0.30
AKR1C3 P42330 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3348800 0.82 CES2 (0.46) CES2ALDH1A1MEN1KMT2AHPGD
Trifluoromethanesulfonic Acid SCHEMBL404139 0.82 AVPR2 (0.40) CES2AVPR2GPR27FLT1FLT4
SCHEMBL404698 0.79 MAPK1 (0.38) ALDH1A1KMT2AHPGDKDM4EHSD17B10
SCHEMBL407083 0.74 ALKBH2 (0.34) KDRALDH1A1MEN1KMT2ALMNA
SCHEMBL377161 0.69 HPGD (0.34) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL28564570 0.68 CES2 (0.47) CES2ALDH1A1MEN1KMT2AHPGD
SCHEMBL13418131 0.68 CXCR2 (0.40) KMT2ALMNA
SCHEMBL547685 0.68 CXCR2 (0.40) KMT2ALMNA
SCHEMBL407288 0.68 KMT2A (0.34) MEN1KMT2AKDM4ELMNA
SCHEMBL6638516 0.67 LMNA (0.50) CES2ALDH1A1MEN1KMT2AUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes KIT, STS, TST CES2 853/4885AVPR2 4360/4885GPR27 1722/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.